Task 38674765

Name test_233-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND2425_0
Workunit 31616784
Created 26 Oct 2026, 6:16:19 UTC
Sent 26 Oct 2026, 6:16:24 UTC
Report deadline 31 Oct 2026, 6:16:24 UTC
Received 26 Oct 2026, 7:09:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550955
Run time 51 min 59 sec
CPU time 47 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,243.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.95 MB
Peak swap size 9.90 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:17:31 (11500): wrapper (7.9.26016): starting
07:17:31 (11500): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
07:17:32 (11500): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:17:32 (11500): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\2\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\2\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
08:08:35 (11500): C:/Windows/system32/cmd.exe exited; CPU time 2853.656250
08:08:35 (11500): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 38718611 bytes.
Dumping objects ->
{3835234} normal block at 0x000001ED269ED540, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x000001ED269ECC10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000001ED269ED3F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x000001ED269ED0E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x000001ED24BC4BB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x000001ED26A3A5A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x000001ED26A4ED40, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835145} normal block at 0x000001ED24BBED60, 8 bytes long.
 Data: <   %&#237;   > 00 00 0B 25 ED 01 00 00 
{3834542} normal block at 0x000001ED26A4E710, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001ED24BBEC20, 8 bytes long.
 Data: <&#240;O&#169;&&#237;   > F0 4F A9 26 ED 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001ED24BC0E20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001ED24BB5F60, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001ED24BC5D10, 16 bytes long.
 Data: <xh&#188;$&#237;           > 78 68 BC 24 ED 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001ED24BC6170, 16 bytes long.
 Data: <Ph&#188;$&#237;           > 50 68 BC 24 ED 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001ED24BC0770, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001ED24BC6490, 16 bytes long.
 Data: <(h&#188;$&#237;           > 28 68 BC 24 ED 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001ED24BC5AE0, 16 bytes long.
 Data: < h&#188;$&#237;           > 00 68 BC 24 ED 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001ED24BC63A0, 16 bytes long.
 Data: <&#216;g&#188;$&#237;           > D8 67 BC 24 ED 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001ED24BC58B0, 16 bytes long.
 Data: <&#176;g&#188;$&#237;           > B0 67 BC 24 ED 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001ED24BC4C90, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001ED24BC5B30, 16 bytes long.
 Data: <&#200;&#240;&#186;$&#237;           > C8 F0 BA 24 ED 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001ED24BBFCF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001ED24BC6210, 16 bytes long.
 Data: <&#160;&#240;&#186;$&#237;           > A0 F0 BA 24 ED 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001ED24BC5A40, 16 bytes long.
 Data: <x&#240;&#186;$&#237;           > 78 F0 BA 24 ED 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001ED24BC6300, 16 bytes long.
 Data: <P&#240;&#186;$&#237;           > 50 F0 BA 24 ED 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001ED24BC6260, 16 bytes long.
 Data: <(&#240;&#186;$&#237;           > 28 F0 BA 24 ED 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001ED24BC56D0, 16 bytes long.
 Data: < &#240;&#186;$&#237;           > 00 F0 BA 24 ED 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001ED24BC5DB0, 16 bytes long.
 Data: <&#216;&#239;&#186;$&#237;           > D8 EF BA 24 ED 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001ED24BC0710, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001ED24BC5C70, 16 bytes long.
 Data: <&#176;&#239;&#186;$&#237;           > B0 EF BA 24 ED 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001ED24BAEFB0, 320 bytes long.
 Data: <p\&#188;$&#237;     &#188;$&#237;   > 70 5C BC 24 ED 01 00 00 10 07 BC 24 ED 01 00 00 
{276} normal block at 0x000001ED24BC5CC0, 16 bytes long.
 Data: < g&#188;$&#237;           > 90 67 BC 24 ED 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001ED24BC5680, 16 bytes long.
 Data: <hg&#188;$&#237;           > 68 67 BC 24 ED 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001ED24BBFC30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001ED24BC55E0, 16 bytes long.
 Data: <@g&#188;$&#237;           > 40 67 BC 24 ED 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001ED24BC00B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001ED24BC5720, 16 bytes long.
 Data: < f&#188;$&#237;           > 88 66 BC 24 ED 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001ED24BC5810, 16 bytes long.
 Data: <`f&#188;$&#237;           > 60 66 BC 24 ED 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001ED24BC5FE0, 16 bytes long.
 Data: <8f&#188;$&#237;           > 38 66 BC 24 ED 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001ED24BC57C0, 16 bytes long.
 Data: < f&#188;$&#237;           > 10 66 BC 24 ED 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001ED24BC5590, 16 bytes long.
 Data: <&#232;e&#188;$&#237;           > E8 65 BC 24 ED 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001ED24BC59F0, 16 bytes long.
 Data: <&#192;e&#188;$&#237;           > C0 65 BC 24 ED 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001ED24BC5A90, 16 bytes long.
 Data: <@K&#188;$&#237;           > 40 4B BC 24 ED 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001ED24BC4B40, 40 bytes long.
 Data: < Z&#188;$&#237;   &#160;&#165;&#163;&&#237;   > 90 5A BC 24 ED 01 00 00 A0 A5 A3 26 ED 01 00 00 
{262} normal block at 0x000001ED24BC5C20, 16 bytes long.
 Data: <&#160;e&#188;$&#237;           > A0 65 BC 24 ED 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001ED24BC5F40, 16 bytes long.
 Data: <xe&#188;$&#237;           > 78 65 BC 24 ED 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001ED24BBFC90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001ED24BC5BD0, 16 bytes long.
 Data: <Pe&#188;$&#237;           > 50 65 BC 24 ED 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001ED24BC6550, 992 bytes long.
 Data: <&#208;[&#188;$&#237;    &#252;&#187;$&#237;   > D0 5B BC 24 ED 01 00 00 90 FC BB 24 ED 01 00 00 
{94} normal block at 0x000001ED24BBFBD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001ED24BBF210, 16 bytes long.
 Data: <&#224;M&#188;$&#237;           > E0 4D BC 24 ED 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001ED24BC4DE0, 40 bytes long.
 Data: < &#242;&#187;$&#237;   &#208;&#251;&#187;$&#237;   > 10 F2 BB 24 ED 01 00 00 D0 FB BB 24 ED 01 00 00 
{71} normal block at 0x000001ED24BBF440, 16 bytes long.
 Data: < &#234;9T&#246;           > 80 EA 39 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001ED24BBEAE0, 16 bytes long.
 Data: <@&#233;9T&#246;           > 40 E9 39 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001ED24BBEC70, 16 bytes long.
 Data: <&#248;W6T&#246;           > F8 57 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001ED24BBF3F0, 16 bytes long.
 Data: <&#216;W6T&#246;           > D8 57 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001ED24BBF2B0, 16 bytes long.
 Data: <P 6T&#246;           > 50 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001ED24BBED10, 16 bytes long.
 Data: <0 6T&#246;           > 30 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001ED24BBF8A0, 16 bytes long.
 Data: <&#224; 6T&#246;           > E0 02 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001ED24BBF3A0, 16 bytes long.
 Data: <  6T&#246;           > 10 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001ED24BBEDB0, 16 bytes long.
 Data: <p 6T&#246;           > 70 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001ED24BBF850, 16 bytes long.
 Data: < &#192;4T&#246;           > 18 C0 34 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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